4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine

C14H14ClF3N4O — CID 175936813

IUPAC4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(N2CN=C(Cl)N=C2N2CCOCC2)c1
InChIInChI=1S/C14H14ClF3N4O/c15-12-19-9-22(13(20-12)21-4-6-23-7-5-21)11-3-1-2-10(8-11)14(16,17)18/h1-3,8H,4-7,9H2
InChIKeySVKNIHGQRGLKLZ-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.77
Rot. Bonds1

About 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine

4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine (PubChem CID 175936813) has the molecular formula C14H14ClF3N4O and a molecular weight of 346.74 g/mol. Its IUPAC name is 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine
PubChem CID175936813
Molecular FormulaC14H14ClF3N4O
Molecular Weight346.74 g/mol
Exact Mass346.08
IUPAC Name4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine
SMILESFC(F)(F)c1cccc(N2CN=C(Cl)N=C2N2CCOCC2)c1
InChIInChI=1S/C14H14ClF3N4O/c15-12-19-9-22(13(20-12)21-4-6-23-7-5-21)11-3-1-2-10(8-11)14(16,17)18/h1-3,8H,4-7,9H2
InChIKeySVKNIHGQRGLKLZ-UHFFFAOYSA-N
XLogP2.77
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851492
2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851457
6-methyl-3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 14820825
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
CID 118904692
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
N-[C-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]carbamoyl chloride
CID 135516809
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
5-methyl-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 3878956
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine (CID 175936813) is 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine is FC(F)(F)c1cccc(N2CN=C(Cl)N=C2N2CCOCC2)c1.
What is the InChIKey of 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine?
The InChIKey is SVKNIHGQRGLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O/c15-12-19-9-22(13(20-12)21-4-6-23-7-5-21)11-3-1-2-10(8-11)14(16,17)18/h1-3,8H,4-7,9H2.
What are the key properties of 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine?
4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine has a molecular weight of 346.74 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-yl]morpholine is sourced from PubChem (CID 175936813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).